5-(acetamidomethyl)thiophene-2-sulfonyl fluoride

C7H8FNO3S2 — CID 165460122

IUPAC5-(acetamidomethyl)thiophene-2-sulfonyl fluoride
SMILESCC(=O)NCc1ccc(S(=O)(=O)F)s1
InChIInChI=1S/C7H8FNO3S2/c1-5(10)9-4-6-2-3-7(13-6)14(8,11)12/h2-3H,4H2,1H3,(H,9,10)
InChIKeyFVNNUDXAWVFRFR-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.04
Rot. Bonds3

About 5-(acetamidomethyl)thiophene-2-sulfonyl fluoride

5-(acetamidomethyl)thiophene-2-sulfonyl fluoride (PubChem CID 165460122) has the molecular formula C7H8FNO3S2 and a molecular weight of 237.28 g/mol. Its IUPAC name is 5-(acetamidomethyl)thiophene-2-sulfonyl fluoride.

Molecular Properties

Compound Name5-(acetamidomethyl)thiophene-2-sulfonyl fluoride
PubChem CID165460122
Molecular FormulaC7H8FNO3S2
Molecular Weight237.28 g/mol
Exact Mass236.99
IUPAC Name5-(acetamidomethyl)thiophene-2-sulfonyl fluoride
SMILESCC(=O)NCc1ccc(S(=O)(=O)F)s1
InChIInChI=1S/C7H8FNO3S2/c1-5(10)9-4-6-2-3-7(13-6)14(8,11)12/h2-3H,4H2,1H3,(H,9,10)
InChIKeyFVNNUDXAWVFRFR-UHFFFAOYSA-N
XLogP1.04
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(thiophen-2-yl)methyl]acetamide
CID 30617
N~1~-(thien-2-ylmethyl)-N~3~-(thien-2-ylsulfonyl)-beta-alaninamide
CID 3240953
N-[2-(4-Fluorobenzenesulfonyl)-2-(thiophen-2-YL)ethyl]acetamide
CID 22581612
N-((5-sulfamoylthiophen-2-yl)methyl)acetamide
CID 16792798
N-[2-(5-sulfamoylthiophen-2-yl)ethyl]acetamide
CID 43133893
N-[(thiophen-2-yl)methyl]butanamide
CID 4117885
N-[2-[5-[methyl(pentan-3-yl)sulfamoyl]thiophen-2-yl]ethyl]acetamide
CID 47068796
N-[2-[5-[2-methylpropyl(propan-2-yl)sulfamoyl]thiophen-2-yl]ethyl]acetamide
CID 47068801
N-[2-[5-[butan-2-yl(methyl)sulfamoyl]thiophen-2-yl]ethyl]acetamide
CID 51108780
5-(2-(2,2-Dimethylpropanamido)ethyl)thiophene-2-sulfonyl chloride
CID 24688786
5-[2-(3-Methylbutanamido)ethyl]thiophene-2-sulfonyl chloride
CID 24688936
5-(1-Acetamidoethyl)thiophene-2-sulfonyl chloride
CID 24689365

Frequently Asked Questions

What is the IUPAC name of 5-(acetamidomethyl)thiophene-2-sulfonyl fluoride?
The IUPAC name of 5-(acetamidomethyl)thiophene-2-sulfonyl fluoride (CID 165460122) is 5-(acetamidomethyl)thiophene-2-sulfonyl fluoride.
What is the SMILES notation for 5-(acetamidomethyl)thiophene-2-sulfonyl fluoride?
The canonical SMILES for 5-(acetamidomethyl)thiophene-2-sulfonyl fluoride is CC(=O)NCc1ccc(S(=O)(=O)F)s1.
What is the InChIKey of 5-(acetamidomethyl)thiophene-2-sulfonyl fluoride?
The InChIKey is FVNNUDXAWVFRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNO3S2/c1-5(10)9-4-6-2-3-7(13-6)14(8,11)12/h2-3H,4H2,1H3,(H,9,10).
What are the key properties of 5-(acetamidomethyl)thiophene-2-sulfonyl fluoride?
5-(acetamidomethyl)thiophene-2-sulfonyl fluoride has a molecular weight of 237.28 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(acetamidomethyl)thiophene-2-sulfonyl fluoride is sourced from PubChem (CID 165460122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).